5-Bromo-4-fluoro-2-nitroaniline

Name: 5-Bromo-4-fluoro-2-nitroaniline
Brand: ChemScene
Availability: InStock
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CAS No. 1052686-50-6
Cat. No. CS-0041744
Purity≥97%
MDL No.MFCD21332915

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Bromo-4-fluoro-2-nitroaniline|CS-0041744

Structure of 1052686-50-6

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General Information

CAS No. 1052686-50-6
Cat. No. CS-0041744
Purity ≥97%
MDL No. MFCD21332915
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrFN₂O₂
Molecular Weight 235.01
Synonym(s) 5-bromo-4-fluoro-2-nitro-phenylamine
SMILES NC1=CC(Br)=C(F)C=C1[N+]([O-])=O

Description

5-Bromo-4-fluoro-2-nitroaniline features a trifunctional aromatic core integrating bromine, fluorine, and nitro groups at strategic positions. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate in the synthesis of advanced pharmaceuticals and functional dyes. The molecule exhibits enhanced stability under standard conditions.

Application

5-Bromo-4-fluoro-2-nitroaniline serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its complementary halogen (Br, F) and nitro groups enable sequential cross-coupling reactions and selective reductions, facilitating access to diverse biaryl and amine-containing scaffolds. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

Route1
- In-stock
  
  167415-27-2
- ~%
- In-stock
  
  1052686-50-6
References
- Charifson, Paul S.; Grillot, Anne-Laure; Grossman, Trudy H.; Parsons, Jonathan D.; Badia, Michael; Bellon, Steve; Deininger, David D.; Drumm, Joseph E.; Gross, Christian H.; LeTiran, Arnaud; Liao, Yusheng; Mani, Nagraj; Nicolau, David P.; Perola, Emanuele; Ronkin, Steven; Shannon, Dean; Swenson, Lora L.; Tang, Qing; Tessier, Pamela R.; Tian, Ski-Kai; Trudeau, Martin; Wang, Tiansheng; Wei, Yunyi; Zhang, Hong; Stamos, Dean Journal of Medicinal Chemistry, 2008 , vol. 51, # 17 p. 5243 - 5263

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 69.16
LogP 2.0786
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Bromo-4-fluoro-2-nitroaniline

CAS No. 1052686-50-6

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